4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C29H40O6 — CID 86751746

IUPAC4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C(CC(OC3CCCCO3)C2CCC(OC2CCCCO2)C2Cc3ccccc3C2)O1
InChIInChI=1S/C29H40O6/c30-27-17-23-22(25(18-26(23)33-27)35-29-10-4-6-14-32-29)11-12-24(34-28-9-3-5-13-31-28)21-15-19-7-1-2-8-20(19)16-21/h1-2,7-8,21-26,28-29H,3-6,9-18H2
InChIKeyZPXRBHBNXKWUTJ-UHFFFAOYSA-N
MW484.63 g/mol
LogP4.96
Rot. Bonds8

About 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 86751746) has the molecular formula C29H40O6 and a molecular weight of 484.63 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID86751746
Molecular FormulaC29H40O6
Molecular Weight484.63 g/mol
Exact Mass484.28
IUPAC Name4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C(CC(OC3CCCCO3)C2CCC(OC2CCCCO2)C2Cc3ccccc3C2)O1
InChIInChI=1S/C29H40O6/c30-27-17-23-22(25(18-26(23)33-27)35-29-10-4-6-14-32-29)11-12-24(34-28-9-3-5-13-31-28)21-15-19-7-1-2-8-20(19)16-21/h1-2,7-8,21-26,28-29H,3-6,9-18H2
InChIKeyZPXRBHBNXKWUTJ-UHFFFAOYSA-N
XLogP4.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

4-[4-(3-chlorophenoxy)-3-fluorobutyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 23448295
(3aR,5R,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 73357579
(3aR,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67875628
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxy-7-methyloctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22884806
(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodecyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59958164
(3aR,4R,5R,6aS)-4-[(3R,4R)-4-methyl-3-(oxan-2-yloxy)oct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70358135
(3aR,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 71463687
(3aR,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-[(2R)-oxan-2-yl]oxynon-1-enyl]-5-[(2R)-oxan-2-yl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 86332214
(3aS,4S,5S,6aR)-5-(oxan-2-yloxy)-4-piperidin-1-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815878
(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70579357
(3aR,4R,5R,6aS)-4-[(E)-2-[2-[(4-fluorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22803353
(3aR,4R,5R,6aS)-4-[(3S)-4-methyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 56625204

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 86751746) is 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1CC2C(CC(OC3CCCCO3)C2CCC(OC2CCCCO2)C2Cc3ccccc3C2)O1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is ZPXRBHBNXKWUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O6/c30-27-17-23-22(25(18-26(23)33-27)35-29-10-4-6-14-32-29)11-12-24(34-28-9-3-5-13-31-28)21-15-19-7-1-2-8-20(19)16-21/h1-2,7-8,21-26,28-29H,3-6,9-18H2.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 484.63 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-2-yl)-3-(oxan-2-yloxy)propyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 86751746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).